[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate

C18H14ClNO4 — CID 56799270

IUPAC[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2coc(-c3ccccc3Cl)n2)c1O
InChIInChI=1S/C18H14ClNO4/c1-11-5-4-7-14(16(11)21)18(22)24-10-12-9-23-17(20-12)13-6-2-3-8-15(13)19/h2-9,21H,10H2,1H3
InChIKeyUNJNTYCKKPGAAT-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.37
Rot. Bonds4

About [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate

[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate (PubChem CID 56799270) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate
PubChem CID56799270
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2coc(-c3ccccc3Cl)n2)c1O
InChIInChI=1S/C18H14ClNO4/c1-11-5-4-7-14(16(11)21)18(22)24-10-12-9-23-17(20-12)13-6-2-3-8-15(13)19/h2-9,21H,10H2,1H3
InChIKeyUNJNTYCKKPGAAT-UHFFFAOYSA-N
XLogP4.37
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
[2-(2-chloroanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578232
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-hydroxy-3-methylbenzoate
CID 16588903
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylfuran-3-carboxylate
CID 18197445
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 55543032
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 18085109
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(2-phenyl-1,3-oxazol-4-yl)methyl 2-methylsulfanylbenzoate
CID 18085090
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
(2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 31710711

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate (CID 56799270) is [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2coc(-c3ccccc3Cl)n2)c1O.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is UNJNTYCKKPGAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-11-5-4-7-14(16(11)21)18(22)24-10-12-9-23-17(20-12)13-6-2-3-8-15(13)19/h2-9,21H,10H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate?
[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 343.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 56799270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).